Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLA1 | P09884 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29118401 | 0.86 | SIGMAR1 (0.45) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL6583622 | 0.78 | POLA1 (0.46) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL27525590 | 0.78 | SIGMAR1 (0.49) | SIGMAR1KDM1ACYP3A4TSHRCYP2C19 | |
| SCHEMBL30327476 | 0.77 | SIGMAR1 (0.46) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL9487439 | 0.77 | KDM1A (0.45) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL3431949 | 0.77 | POLA1 (0.49) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL9486358 | 0.77 | SIGMAR1 (0.46) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL11033750 | 0.77 | SIGMAR1 (0.46) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR | |
| SCHEMBL3656075 | 0.76 | KDM1A (0.44) | SIGMAR1KDM1AALDH1A1 | |
| SCHEMBL5735496 | 0.76 | KDM1A (0.51) | SIGMAR1KDM1ACYP3A4CYP2C9TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478211-B | Preparation method of etazocine intermediate | 广州一品红制药有限公司 | 2024-01-09 | — | — | CN | disclosed |
| CN-114478211-A | Preparation method of eptazocine intermediate | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | disclosed |